Chemical Identifiers |
- Formula
- C104H174N24O22
- IUPAC Name
(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-6-(hexadecanoylamino)-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]butanediamide
- Canonical SMILES
-
CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C)N
- InChI
-
InChI=1S/C104H174N24O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-42-86(133)111-50-33-29-40-75(94(140)117-73(90(110)136)37-26-30-47-105)119-95(141)74(38-27-31-48-106)118-96(142)76(39-28-32-49-107)120-103(149)84-41-34-51-128(84)88(135)60-114-93(139)77(52-62(2)3)122-97(143)78(53-63(4)5)123-99(145)80(55-68-43-45-70(131)46-44-68)116-87(134)59-113-92(138)66(9)115-102(148)83(61-129)126-100(146)82(57-85(109)132)124-98(144)79(54-64(6)7)125-104(150)89(67(10)130)127-101(147)81(121-91(137)65(8)108)56-69-58-112-72-36-25-24-35-71(69)72/h24-25,35-36,43-46,58,62-67,73-84,89,112,129-131H,11-23,26-34,37-42,47-57,59-61,105-108H2,1-10H3,(H2,109,132)(H2,110,136)(H,111,133)(H,113,138)(H,114,139)(H,115,148)(H,116,134)(H,117,140)(H,118,142)(H,119,141)(H,120,149)(H,121,137)(H,122,143)(H,123,145)(H,124,144)(H,125,150)(H,126,146)(H,127,147)/t65-,66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1
- InChIKey
-
SYZGVJVRSWLTDO-ZYVMWFDRSA-N
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