(4S)-4-azanyl-5-[[(2S)-5-azanyl-1-[[(2R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxi

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-5-azanyl-1-[[(2R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxi Openeye Name: (4S)-4-amino-5-[[(1S)-4-amino-1-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-4-guanidino-butyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-4-amino-1-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-4-keto-butyl]amino]-5-keto-valeric acid Formula: C48H77N17O24S MolecularWeight: 1308.28948

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CS)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)N)CN=C(N)N

Isomeric SMILES

C(C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N)CN=C(N)N

InChI

InChI=1S/C48H77N17O24S/c49-20(5-11-31(67)68)37(79)57-22(6-10-30(50)66)42(84)65-29(19-90)45(87)58-21(3-1-15-55-47(51)52)38(80)59-23(7-12-32(69)70)39(81)60-24(8-13-33(71)72)40(82)61-25(9-14-34(73)74)41(83)63-28(18-36(77)78)44(86)64-27(17-35(75)76)43(85)62-26(46(88)89)4-2-16-56-48(53)54/h20-29,90H,1-19,49H2,(H2,50,66)(H,57,79)(H,58,87)(H,59,80)(H,60,81)(H,61,82)(H,62,85)(H,63,83)(H,64,86)(H,65,84)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,88,89)(H4,51,52,55)(H4,53,54,56)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1