(4S)-5-[[(2S,3S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-bu

Systemtic Name: (4S)-5-[[(2S,3S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-bu Openeye Name: (4S)-5-[[(1S,2S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-oxo-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-methyl-butyl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-2-methyl-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S,2S)-1-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-keto-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-methyl-butyl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-5-keto-valeric acid Formula: C56H97N19O16S MolecularWeight: 1324.55208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(CO)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)N

InChI

InChI=1S/C56H97N19O16S/c1-10-29(6)43(74-49(86)35(15-18-41(79)80)72-54(91)56(7,8)75-53(90)42(28(4)5)73-45(82)31(57)25-76)52(89)69-34(14-17-40(59)78)47(84)70-37(22-27(2)3)50(87)68-36(19-21-92-9)48(85)71-38(23-30-24-63-26-65-30)51(88)67-33(13-16-39(58)77)46(83)66-32(44(60)81)12-11-20-64-55(61)62/h24,26-29,31-38,42-43,76H,10-23,25,57H2,1-9H3,(H2,58,77)(H2,59,78)(H2,60,81)(H,63,65)(H,66,83)(H,67,88)(H,68,87)(H,69,89)(H,70,84)(H,71,85)(H,72,91)(H,73,82)(H,74,86)(H,75,90)(H,79,80)(H4,61,62,64)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,42-,43-/m0/s1