Current position:Home >Product >

(2S)-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name:	(2S)-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoic acid
Openeye Name:	(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoic acid
CAS Name:	(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methylbutanoic acid
IUPAC Name:	(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoic acid
Traditional Name:	(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butyric acid
Formula:	C₅₁H₇₈N₁₆O₁₉
MolecularWeight:	1219.26082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)O)N

InChI

InChI=1S/C51H78N16O19/c1-22(2)13-29(44(79)62-31(15-36(53)70)42(77)58-19-37(71)59-28(11-8-12-56-51(54)55)43(78)67-40(23(3)4)50(85)86)60-49(84)35(21-69)66-47(82)33(17-39(74)75)64-46(81)32(16-38(72)73)63-45(80)30(14-25-18-57-27-10-7-6-9-26(25)27)61-48(83)34(20-68)65-41(76)24(5)52/h6-7,9-10,18,22-24,28-35,40,57,68-69H,8,11-17,19-21,52H2,1-5H3,(H2,53,70)(H,58,77)(H,59,71)(H,60,84)(H,61,83)(H,62,79)(H,63,80)(H,64,81)(H,65,76)(H,66,82)(H,67,78)(H,72,73)(H,74,75)(H,85,86)(H4,54,55,56)/t24-,28-,29-,30-,31-,32-,33-,34-,35-,40-/m0/s1

Other Product