(4S)-4-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-(2-azanylethanoylamino)hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]hexanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S,3R)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1

Systemtic Name: (4S)-4-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-(2-azanylethanoylamino)hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]hexanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S,3R)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1 Openeye Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]hexanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]ami CAS Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[(2-amino-1-oxoethyl)amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxohexyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-ox IUPAC Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopen Traditional Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-(glycylamino)hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-(methylthio)butanoyl]amino]hexanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-keto-butyl]amino]-2-keto Formula: C89H154N24O23S MolecularWeight: 1960.38706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CN

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CN

InChI

InChI=1S/C89H154N24O23S/c1-15-49(8)71(88(135)100-50(9)74(121)97-51(10)75(122)103-60(31-34-68(95)116)84(131)113-72(54(13)114)89(136)108-63(73(96)120)41-46(2)3)112-83(130)61(32-35-70(118)119)105-81(128)58(29-21-24-39-92)104-82(129)62(36-40-137-14)107-80(127)57(28-20-23-38-91)102-76(123)52(11)99-85(132)64(42-47(4)5)111-87(134)66(44-55-25-17-16-18-26-55)109-77(124)53(12)98-78(125)59(30-33-67(94)115)106-86(133)65(43-48(6)7)110-79(126)56(27-19-22-37-90)101-69(117)45-93/h16-18,25-26,46-54,56-66,71-72,114H,15,19-24,27-45,90-93H2,1-14H3,(H2,94,115)(H2,95,116)(H2,96,120)(H,97,121)(H,98,125)(H,99,132)(H,100,135)(H,101,117)(H,102,123)(H,103,122)(H,104,129)(H,105,128)(H,106,133)(H,107,127)(H,108,136)(H,109,124)(H,110,126)(H,111,134)(H,112,130)(H,113,131)(H,118,119)/t49-,50-,51-,52-,53-,54+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-/m0/s1