[4-[(2S)-3-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phen

Systemtic Name: [4-[(2S)-3-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phen Openeye Name: [4-[(2S)-3-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-oxo-propyl]phenyl]phosphonic acid CAS Name: [4-[(2S)-3-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-oxopropyl]phenyl]phosphonic acid IUPAC Name: [4-[(2S)-3-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-oxopropyl]phenyl]phosphonic acid Traditional Name: [4-[(2S)-3-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-3-keto-propyl]phenyl]phosphonic acid Formula: C63H103N16O16PS2 MolecularWeight: 1435.693281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=C(C=C1)P(=O)(O)O)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CCSC)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)P(=O)(O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C63H103N16O16PS2/c1-34(2)48(59(89)76-49(35(3)4)60(90)77-50(36(5)80)61(91)70-42(52(66)82)19-14-28-69-63(67)68)75-57(87)46(33-39-21-23-40(24-22-39)96(93,94)95)74-58(88)47-20-15-29-79(47)62(92)51(37(6)81)78-55(85)44(26-31-98-8)71-54(84)43(25-30-97-7)72-56(86)45(32-38-16-10-9-11-17-38)73-53(83)41(65)18-12-13-27-64/h9-11,16-17,21-24,34-37,41-51,80-81H,12-15,18-20,25-33,64-65H2,1-8H3,(H2,66,82)(H,70,91)(H,71,84)(H,72,86)(H,73,83)(H,74,88)(H,75,87)(H,76,89)(H,77,90)(H,78,85)(H4,67,68,69)(H2,93,94,95)/t36-,37-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1